N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=C(OC=C5)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=C(OC=C5)C

InChI

InChI=1S/C22H30N4O2S/c1-3-26-20(18-4-5-28-14(18)2)24-25-21(26)29-12-19(27)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h4-5,15-17H,3,6-13H2,1-2H3,(H,23,27)